5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C50H29N7 — CID 140947966

IUPAC5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C50H29N7/c1-2-11-32(12-3-1)53-44-24-21-30(27-46(44)56-42-19-8-5-16-38(42)51-49(53)56)31-22-25-45-47(28-31)57-43-20-9-6-17-39(43)52-50(57)54(45)33-23-26-41-37(29-33)36-15-10-14-35-34-13-4-7-18-40(34)55(41)48(35)36/h1-29H
InChIKeyYWYXKSXHKSUXMC-UHFFFAOYSA-N
MW727.83 g/mol
LogP11.99
Rot. Bonds3

About 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 140947966) has the molecular formula C50H29N7 and a molecular weight of 727.83 g/mol. Its IUPAC name is 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID140947966
Molecular FormulaC50H29N7
Molecular Weight727.83 g/mol
Exact Mass727.25
IUPAC Name5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C50H29N7/c1-2-11-32(12-3-1)53-44-24-21-30(27-46(44)56-42-19-8-5-16-38(42)51-49(53)56)31-22-25-45-47(28-31)57-43-20-9-6-17-39(43)52-50(57)54(45)33-23-26-41-37(29-33)36-15-10-14-35-34-13-4-7-18-40(34)55(41)48(35)36/h1-29H
InChIKeyYWYXKSXHKSUXMC-UHFFFAOYSA-N
XLogP11.99
TPSA48.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.83
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 140947966) is 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3n3c4ccccc4nc23)cc1.
What is the InChIKey of 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is YWYXKSXHKSUXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N7/c1-2-11-32(12-3-1)53-44-24-21-30(27-46(44)56-42-19-8-5-16-38(42)51-49(53)56)31-22-25-45-47(28-31)57-43-20-9-6-17-39(43)52-50(57)54(45)33-23-26-41-37(29-33)36-15-10-14-35-34-13-4-7-18-40(34)55(41)48(35)36/h1-29H.
What are the key properties of 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 727.83 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 140947966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).